SCHEMBL8801047

SCHEMBL8801047

O=C(O)Oc1cn(-c2ccc(Cn3cncn3)cc2)c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 4/20 0.41
POLB P06746 1/20 0.41
TOP1 P11387 5/20 0.40
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9058927 0.95 LMNA (0.45) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802048 0.93 LMNA (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801042 0.91 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801646 0.89 THRB (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801018 0.87 LMNA (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9058925 0.86 LMNA (0.56) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801932 0.86 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801026 0.86 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8800505 0.85 LMNA (0.37) LMNAKMT2A
SCHEMBL8802046 0.84 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed